[3-(2,3-epoxypropoxy)propyl]triethoxysilane (CED0121265)

Record Information
Version1.0
Creation Date2016-06-03 13:06:42 UTC
Update Date2026-08-18 21:04:40 UTC
Accession NumberCHEM045336
Identification
Common Name[3-(2,3-epoxypropoxy)propyl]triethoxysilane
ClassSmall Molecule
Description
[3-(2,3-epoxypropoxy)propyl]triethoxysilane belongs to the organosilicon compounds, a subclass of organometalloid compounds within the organic compounds. This compound has the chemical formula C12H26O5Si and an average molecular weight of 278.42 g/mol. In industrial applications, it serves several roles, acting as a viscosity modifier, chemical reaction regulator, and adhesion/cohesion promoter. Additionally, it is utilized as a filler, thickening agent, and dispersing agent. The compound is found in or released from 16 recorded sources. Within electrical and electronic equipment, it is associated with antennas, coils, communication cables or conductors, cores yokes or armatures, discharge lamps, and seven other items. In the building and construction sector, it is found in ceilings, stairs, and ramps. It has also been recorded in household cleaning and consumer products, specifically ash trays, as well as in drinking water and water supply. The recorded exposure route for this substance is oral.
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
gamma-GlycidoxypropyltriethoxysilaneMeSH
Chemical FormulaC12H26O5Si
Average Molecular Mass278.420 g/mol
Monoisotopic Mass278.155 g/mol
CAS Registry Number2602-34-8
IUPAC Nametriethoxy({3-[(oxiran-2-yl)methoxy]propyl})silane
Traditional Nametriethoxy[3-(oxiran-2-ylmethoxy)propyl]silane
SMILESCCO[Si](CCCOCC1CO1)(OCC)OCC
InChI IdentifierInChI=1S/C12H26O5Si/c1-4-15-18(16-5-2,17-6-3)9-7-8-13-10-12-11-14-12/h12H,4-11H2,1-3H3
InChI KeyJXUKBNICSRJFAP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as trialkoxysilanes. These are organosilicon compounds with the general formula RO[Si](R')(OR'')OR''' (R-R''' = aliphatic organyl group).
KingdomOrganic compounds
Super ClassOrganometallic compounds
ClassOrganometalloid compounds
Sub ClassOrganosilicon compounds
Direct ParentTrialkoxysilanes
Alternative Parents
Substituents
  • Trialkoxysilane
  • Silyl ether
  • Organoheterosilane
  • Oxacycle
  • Organic metalloid salt
  • Organoheterocyclic compound
  • Ether
  • Oxirane
  • Dialkyl ether
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organic salt
  • Organooxygen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.57 g/LALOGPS
logP2.04ALOGPS
logP1.24ChemAxon
logS-2.7ALOGPS
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area49.45 ŲChemAxon
Rotatable Bond Count12ChemAxon
Refractivity65.49 m³·mol⁻¹ChemAxon
Polarizability30.79 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-1090000000-31481f19888935a2afbcNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00b9-6390000000-e1f5238f16a5bba4421bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0a6r-9510000000-3080530831acc72f4153Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-040r-1790000000-198d4a2a287333168c02Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00vr-6970000000-65f4956ee966f166e341Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-05bg-9300000000-4d2270528a7823fdf003Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2651.0Log mg/kg[1500:4700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
115Drinking waterDrinking water & water supplyNot Available
495CeilingsBuilding & ConstructionNot Available
500Stairs And RampsBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
513Cores Yokes Or ArmaturesElectrical & Electronic EquipmentNot Available
514Discharge LampsElectrical & Electronic EquipmentNot Available
516Electric Hearing AidsElectrical & Electronic EquipmentNot Available
520Emergency Protective DevicesElectrical & Electronic EquipmentNot Available
527MagnetsElectrical & Electronic EquipmentNot Available
529Power CablesElectrical & Electronic EquipmentNot Available
533Sparking PlugsElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
554Ash TraysHousehold cleaning & consumer productsNot Available
584BuoysMarine, shipping & aquacultureNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
638Decorating TextilesTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
652RopesTextiles, leather & furnishingsNot Available
659Transfer PrintingTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Autotaxin structureClick to view 3D structureAutotaxinQ13822HumansPredicted (SEA)89.0595
Click to view 3D structureLysophosphatidic acid receptor 3Q8K5E0Rattus norvegicusPredicted (SEA)5.76084
Lysophosphatidic acid receptor 2 structureClick to view 3D structureLysophosphatidic acid receptor 2Q9HBW0HumansPredicted (SEA)66.4054
Click to view 3D structureCeramide glucosyltransferaseO88693Mus musculusPredicted (SEA)17.6718
Click to view 3D structureNon-lysosomal glucosylceramidaseQ9HCG7HumansPredicted (SEA)41.0265
Click to view 3D structureSucrase-isomaltaseB5THE3Mus musculusPredicted (SEA)25.5345
Click to view 3D structureLysosomal alpha-glucosidaseP70699Mus musculusPredicted (SEA)34.7986
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)6971.79
Lysosomal acid glucosylceramidase structureClick to view 3D structureLysosomal acid glucosylceramidaseP04062HumansPredicted (SEA)783.552
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)4953.86
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)6929.05
Lysosomal alpha-glucosidase structureClick to view 3D structureLysosomal alpha-glucosidaseP10253HumansPredicted (SEA)74.2682
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)7386.57
Maltase-glucoamylase structureClick to view 3D structureMaltase-glucoamylaseO43451HumansPredicted (SEA)314.667
RAC-alpha serine/threonine-protein kinase structureClick to view 3D structureRAC-alpha serine/threonine-protein kinaseP31749HumansPredicted (SEA)7608.28
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)7548.65
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)7518.29
High affinity choline transporter 1 structureClick to view 3D structureHigh affinity choline transporter 1Q9GZV3HumansPredicted (SEA)5628.34
Click to view 3D structureNon-lysosomal glucosylceramidaseQ69ZF3Mus musculusPredicted (SEA)37.679
Click to view 3D structureLysophosphatidic acid receptor 1P61794Rattus norvegicusPredicted (SEA)42.9728
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)7414.67
Click to view 3D structureMuscarinic acetylcholine receptor M1P08482Rattus norvegicusPredicted (SEA)6019.69
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)4421.84
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)7750.28
Click to view 3D structureSucrase-isomaltase, intestinalP23739Rattus norvegicusPredicted (SEA)77.1486
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID102856
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References